Home Aldehydes Benzaldehyde, 4-(4-methyl-1H-imidazol-1-yl)-

Benzaldehyde, 4-(4-methyl-1H-imidazol-1-yl)-

CAS No.:
127404-21-1
Catalog Number:
AG009JRI
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
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Product Description
Catalog Number:
AG009JRI
Chemical Name:
Benzaldehyde, 4-(4-methyl-1H-imidazol-1-yl)-
CAS Number:
127404-21-1
Molecular Formula:
C11H10N2O
Molecular Weight:
186.2099
MDL Number:
MFCD13180655
IUPAC Name:
4-(4-methylimidazol-1-yl)benzaldehyde
InChI:
InChI=1S/C11H10N2O/c1-9-6-13(8-12-9)11-4-2-10(7-14)3-5-11/h2-8H,1H3
InChI Key:
PVVBFOHONHPONZ-UHFFFAOYSA-N
SMILES:
O=Cc1ccc(cc1)n1cnc(c1)C
Properties
Complexity:
200  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
186.079g/mol
Formal Charge:
0
Heavy Atom Count:
14  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
186.214g/mol
Monoisotopic Mass:
186.079g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
34.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.5  
Properties